Volume 70, Number 5, June 2005
|Page(s)||628 - 634|
|Section||Condensed matter: structural, mechanical and thermal properties|
|Published online||04 May 2005|
On the first-order collapse transition of a three-dimensional, flexible homopolymer chain model
Institut für Physik, Johannes-Gutenberg-Universität Staudingerweg 7, D-55099 Mainz, Germany
Corresponding author: Wolfgang.Paul@uni-mainz.de
Accepted: 18 April 2005
We present simulation results for the phase behavior of flexible lattice polymer chains using the Wang-Landau sampling idea. These chains display a two-stage collapse through a coil-globule transition followed by a crystallization at lower temperatures. Performing a finite-size scaling analysis on the two transitions, we show that they coincide in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil-globule transition.
PACS: 64.60.Cn – Order-disorder transformations: statistical mechanics of model systems / 05.10.Ln – Monte Carlo methods
© EDP Sciences, 2005
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